1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide

C17H26N2O — CID 64551887

IUPAC1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CN(C)C(=O)C2(N)CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-4-8-15(10-13)12-19(3)16(20)17(18)9-5-7-14(2)11-17/h4,6,8,10,14H,5,7,9,11-12,18H2,1-3H3
InChIKeyNOBULRPRQRITCG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.86
Rot. Bonds3

About 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide

1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 64551887) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID64551887
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CN(C)C(=O)C2(N)CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-4-8-15(10-13)12-19(3)16(20)17(18)9-5-7-14(2)11-17/h4,6,8,10,14H,5,7,9,11-12,18H2,1-3H3
InChIKeyNOBULRPRQRITCG-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 64550653
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80592200
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N-benzyl-N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 64554419
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64553181

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 64551887) is 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1cccc(CN(C)C(=O)C2(N)CCCC(C)C2)c1.
What is the InChIKey of 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NOBULRPRQRITCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-6-4-8-15(10-13)12-19(3)16(20)17(18)9-5-7-14(2)11-17/h4,6,8,10,14H,5,7,9,11-12,18H2,1-3H3.
What are the key properties of 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide?
1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64551887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).